ethyl 2-[2-(3-ethyl-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 2-[2-(3-ethyl-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl)acetamido]benzoate
ethyl 2-[2-(3-ethyl-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | S348-0318 |
| Compound Name: | ethyl 2-[2-(3-ethyl-5,6-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-1-yl)acetamido]benzoate |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C21 H24 N4 O5 |
| Smiles: | CCN1C(c2c(cc(C)n2C)N(CC(Nc2ccccc2C(=O)OCC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3272 |
| logD: | 2.314 |
| logSw: | -3.0531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.112 |
| InChI Key: | HWQBIZNGIVKOOL-UHFFFAOYSA-N |